2,4-Di-tert-pentylphenol

Synonyms: 2,4-Di-tert-pentylphenol, "2,4-Di-tert-amylphenol", "2,4-Bis(1,1-dimethylpropyl)phenol", "Phenol, 2,4-bis(1,1-dimethylpropyl)-", "2,4-di-t-pentylphenol", "Di-tert-amylphenol", "Prodox 156", "2,4-bis(2-methylbutan-2-yl)phenol".

Source: 2,4-Di-tert-pentylphenol is used as an intermediate for the preparation of antioxidants and UV stabilizers.

Identifiers:

IUPAC Name: 2,4-bis(2-methylbutan-2-yl)phenol
CAS Number: 120-95-6
PubChem ID: 8455
InChiKey: WMVJWKURWRGJCI-UHFFFAOYSA-N
Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC

Structural Properties:

Molecular Formula: C₁₆H₂₆O
Molecular Weight: 234.38

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

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Evidence Supporting This Chemical as an Emerging Contaminant

Liu, D., Liu, J., Guo, M., Xu, H., Zhang, S., Shi, L.,& Yao, C. (2016). Occurrence, distribution, and risk assessment of alkylphenols, bisphenol A, and tetrabromobisphenol A in surface water, suspended particulate matter, and sediment in Taihu Lake and its tributaries. Marine Pollution Bulletin 112, 142?150.

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